[QE-developers] a special question about QE

[Paolo Giannozzi]

Please provide some data in support of your observation, e.g. input and 
output data showing a different behavior between 5.4 and 6.4 versions

Paolo

On 5/4/23 13:46, 陈石 wrote:
> 	
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> 
> Sorry to bother you with my questions.Recently when I calculated 
> the superconducting transition temperatures of some structures with QE 
> 5.4 version and 6.4 version,the results of superconducting transition 
> temperatures were completely different.We had examined the conditions 
> and other parameters and they were the same.But 6.4 version gave us  
> temperatures that were much higher than 5.4 version(more than three 
> times of 5.4 version).Now I can only conclude that the ωlog and λ were 
> different and I sincerely want to know that have you changed the cod 
> logic of getting the EPC strength and the logarithmically averaged 
> phonon frequency in 6.4 version?And are there new conditions that I have 
> to set in 6.4 version about the calculation of superconducting 
> transition temperatures?Looking forward to your reply.
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222